N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C17H17BrN2O3S — CID 18108581

IUPACN-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCCC1
InChIInChI=1S/C17H17BrN2O3S/c18-14-6-8-15(9-7-14)19-24(22,23)16-5-3-4-13(12-16)17(21)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11H2
InChIKeyKOWMBVAFLVUTIC-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.49
Rot. Bonds4

About N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 18108581) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID18108581
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC NameN-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCCC1
InChIInChI=1S/C17H17BrN2O3S/c18-14-6-8-15(9-7-14)19-24(22,23)16-5-3-4-13(12-16)17(21)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11H2
InChIKeyKOWMBVAFLVUTIC-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-(2-bromo-5-methylphenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 16292738
N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17617917
3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzene-1-sulfonamide
CID 24816976
4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 24978665
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 968625
3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
CID 1355932
Ethyl 4-[3-[(4-bromophenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 24983114

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 18108581) is N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)N1CCCC1.
What is the InChIKey of N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is KOWMBVAFLVUTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c18-14-6-8-15(9-7-14)19-24(22,23)16-5-3-4-13(12-16)17(21)20-10-1-2-11-20/h3-9,12,19H,1-2,10-11H2.
What are the key properties of N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 409.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 18108581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).